N-[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]pyridine-3-carboxamide;thiophene-2-carboxylic acid

C30H31N3O6S — CID 69045462

IUPACN-[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]pyridine-3-carboxamide;thiophene-2-carboxylic acid
SMILESCOc1ccc(C(=O)Nc2ccc(C(C)(C)CNC(=O)c3cccnc3)cc2)cc1OC.O=C(O)c1cccs1
InChIInChI=1S/C25H27N3O4.C5H4O2S/c1-25(2,16-27-23(29)18-6-5-13-26-15-18)19-8-10-20(11-9-19)28-24(30)17-7-12-21(31-3)22(14-17)32-4;6-5(7)4-2-1-3-8-4/h5-15H,16H2,1-4H3,(H,27,29)(H,28,30);1-3H,(H,6,7)
InChIKeyFTLKEXLFRNJFII-UHFFFAOYSA-N
MW561.66 g/mol
LogP5.51
Rot. Bonds9

About N-[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]pyridine-3-carboxamide;thiophene-2-carboxylic acid

N-[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]pyridine-3-carboxamide;thiophene-2-carboxylic acid (PubChem CID 69045462) has the molecular formula C30H31N3O6S and a molecular weight of 561.66 g/mol. Its IUPAC name is N-[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]pyridine-3-carboxamide;thiophene-2-carboxylic acid.

Molecular Properties

Compound NameN-[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]pyridine-3-carboxamide;thiophene-2-carboxylic acid
PubChem CID69045462
Molecular FormulaC30H31N3O6S
Molecular Weight561.66 g/mol
Exact Mass561.19
IUPAC NameN-[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]pyridine-3-carboxamide;thiophene-2-carboxylic acid
SMILESCOc1ccc(C(=O)Nc2ccc(C(C)(C)CNC(=O)c3cccnc3)cc2)cc1OC.O=C(O)c1cccs1
InChIInChI=1S/C25H27N3O4.C5H4O2S/c1-25(2,16-27-23(29)18-6-5-13-26-15-18)19-8-10-20(11-9-19)28-24(30)17-7-12-21(31-3)22(14-17)32-4;6-5(7)4-2-1-3-8-4/h5-15H,16H2,1-4H3,(H,27,29)(H,28,30);1-3H,(H,6,7)
InChIKeyFTLKEXLFRNJFII-UHFFFAOYSA-N
XLogP5.51
TPSA126.85 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.66
LogP ≤ 55.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 91425689
3,4-dimethoxy-N-[4-[2-methyl-1-(2-phenoxypropanoylamino)propan-2-yl]phenyl]benzamide
CID 67545094
N-[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]-1-methyl-4-phenylpyrazole-3-carboxamide
CID 67546780
3,4-dimethoxy-N-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]benzamide
CID 67546361
N-[4-[(pyridine-3-carbonylamino)carbamoyl]phenyl]thiophene-2-carboxamide
CID 9324552
N-[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]-1H-indole-2-carboxamide
CID 90873510
3,4-dimethoxy-N-(4-pyridin-3-yloxyphenyl)benzamide
CID 90643074
N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-3,4-dimethoxybenzamide
CID 15994045
[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl] pyrimidine-2-carboxylate
CID 175265795
N-[4-(1-amino-2-methylpropan-2-yl)phenyl]-3,4-dimethoxybenzamide;thiophene-3-carboxylic acid
CID 69047947
N-[[2-[(3,4-dimethoxybenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925835
4-ethoxy-3-methoxy-N-(2-methyl-2-phenylpropyl)benzamide
CID 39700417

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]pyridine-3-carboxamide;thiophene-2-carboxylic acid?
The IUPAC name of N-[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]pyridine-3-carboxamide;thiophene-2-carboxylic acid (CID 69045462) is N-[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]pyridine-3-carboxamide;thiophene-2-carboxylic acid.
What is the SMILES notation for N-[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]pyridine-3-carboxamide;thiophene-2-carboxylic acid?
The canonical SMILES for N-[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]pyridine-3-carboxamide;thiophene-2-carboxylic acid is COc1ccc(C(=O)Nc2ccc(C(C)(C)CNC(=O)c3cccnc3)cc2)cc1OC.O=C(O)c1cccs1.
What is the InChIKey of N-[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]pyridine-3-carboxamide;thiophene-2-carboxylic acid?
The InChIKey is FTLKEXLFRNJFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4.C5H4O2S/c1-25(2,16-27-23(29)18-6-5-13-26-15-18)19-8-10-20(11-9-19)28-24(30)17-7-12-21(31-3)22(14-17)32-4;6-5(7)4-2-1-3-8-4/h5-15H,16H2,1-4H3,(H,27,29)(H,28,30);1-3H,(H,6,7).
What are the key properties of N-[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]pyridine-3-carboxamide;thiophene-2-carboxylic acid?
N-[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]pyridine-3-carboxamide;thiophene-2-carboxylic acid has a molecular weight of 561.66 g/mol, XLogP of 5.51, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]pyridine-3-carboxamide;thiophene-2-carboxylic acid is sourced from PubChem (CID 69045462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).